Investigation of Drug Delivery of Mechlorethamine (Anticancer Drug) by Si76, C76, Al38N38 Nanocages · Alnoor Digital Repository

Title: Investigation of Drug Delivery of Mechlorethamine (Anticancer Drug) by Si76, C76, Al38N38 Nanocages
Abstract: Here, the potential of Si76, C76, Al38N38, V-Si76, V-C76 and V-Al38N38 nanocages to transfer the Mechlorethamine are examined by computational methods. Results shown that the water as polar solvent is increased the adsorption energy and enthalpy of Mechlorethamine on Si76, C76, Al38N38, V-Si76, V-C76 and V-Al38N38 nanocages ca 0.12 eV to 0.23 eV. Results shown that the HOMO of Mechlorethamine-nanocage complex is located on Mechlorethamine and LUMO of Mechlorethamine-nanocage complex is located on nanocages. The calculated ΔGadsorption of anticancer drug on Si76, C76, Al38N38, V-Si76, V-C76, V-Al38N38 are -3.06, -2.85, -2.97, -3.75, -3.53 and -3.61 eV. The V-Al38N38 and V-Si76 have higher Eadsorption to transfer the Mechlorethamine than C76 ca 0.17 eV to 0.21 eV. The recovery time (τ) values of complexes of V-Si76, V-C76, V-Al38N38 with anticancer drug are higher than Si76, C76 and Al38N38 ca 3.12 s to 5.49 s. Results indicated that the V-Al38N38 and V-Si76 are effective nanostructures to deliver the Mechlorethamine as anticancer drug.
Scientific Type: غير معروف
Link: https://link.springer.com/article/10.1007/s12633-023-02695-x
Journal volume: In press
Collaboration type: مشترك
Publish Date: October 5, 2023
Participated Universities (Publication): Alnoor University
Scopus status: In Scopus
Scopus index year: 2 024
Scopus quarter: 2
Scopus citation score: 5.599999905
Clarivate status: In Clarivate
Clarivate index year: 2 023
Clarivate impafact: 2.940999985
Pub. Med. status: Not In PubMed
Author (Publication): شهد محمد ضياء يونس سليمان
Journal (Publication): Silicon
Publisher (Publication): Springer Nature
ISSN: 1876-990X
Country (Publication): Netherlands
Country type: عالمية
College (Publication): College of Pharmacy
Departement (Publication): Department of Pharmacy